EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131488 - N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride

ChEBI IDCHEBI:131488
ChEBI NameN-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride
Stars
ASCII NameN-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride
DefinitionA hydrochloride salt prepared from N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide and two equivalents of hydrogen chloride.
Last Modified5 October 2020
SubmitterSteve
DownloadsMolfile
FormulaC20H20BrN3O2S.2HCl
Net Charge0
Average Mass519.292
Monoisotopic Mass516.99932
SMILESCl.Cl.[H]C(CNCCNS(=O)(=O)c1cccc2cnccc12)=C([H])c1ccc(Br)cc1
InChIInChI=1S/C20H20BrN3O2S.2ClH/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20;;/h1-10,12,15,22,24H,11,13-14H2;2*1H
InChIKeyGELOGQJVGPIKAM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cAMP-dependent protein kinase (EC 2.7.11.11).
ChEBI Ontology
Outgoing Relation(s)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) has part N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) has role EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor (CHEBI:85094)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) is a hydrochloride (CHEBI:36807)
IUPAC Names 
N-(2-{[3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide dihydrochloride
5-[(2-{[3-(4-bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium dichloride
Synonyms  Source
H-89 hydrochlorideChEBI
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide hydrochlorideChEBI
H-89 dihydrochlorideChEBI
H-89·2HClChEBI
Manual XrefsDatabases
H-89Wikipedia
Registry NumbersSources
Reaxys:8457569Reaxys
Citations